3 DMSG 2

Charges
N 0.054 [N(1)]
C 0.585 [C(2)]
O -0.828 [O(3)]
O -0.195 [O(4)]
C 0.161 [C(5)]
C -0.143 [C(6)]
H 0.107 [H(7)]
H 0.107 [H(8)]
H 0.014 [H(9)]
H 0.014 [H(10)]
H 0.043 [H(11)]
H 0.041 [H(12)]
H 0.041 [H(13)]
------------MM2 Dynamics-----------Warning: Some parameters are guessed (Quality = 1).
Iteration Time
Total Energy Potential Energy
Temperature
---------------------------------------------------------------------5 0.010
-0.301 0.011
-1.095 0.256 17.74 5.84
10 0.020
-0.300 0.012
-1.237 0.267 20.94 5.87
15 0.030
-0.299 0.011
-1.142 0.356 18.87 7.95
20 0.040
-0.299 0.010
-1.044 0.237 16.67 5.14
25 0.050
-0.298 0.008
-1.253 0.217 21.37 4.89
30 0.060
-0.297 0.008
-1.146 0.244 18.98 5.40
35 0.070
-0.300 0.009
-1.060 0.293 17.01 6.50
40 0.080
-0.294 0.011
-1.309 0.234 22.70 5.16
45 0.090
-0.300 0.010
-1.026 0.246 16.24 5.47
50 0.100
-0.294 0.013
-1.087 0.346 17.73 7.68
55 0.110
-0.300 0.013
-1.248 0.322 21.21 7.10
60 0.120
-0.297 0.010
-1.047 0.326 16.78 7.21
65 0.130
-0.300 0.012
-0.985 0.271 15.32 6.05
70 0.140
-0.299 0.008
-1.256 0.214 21.42 4.85
75 0.150
-0.298 0.010
-1.163 0.311 19.34 6.85
80 0.160
-0.298 0.008
-0.970 0.210 15.04 4.68
85 0.170
-0.299 0.012
-1.260 0.198 21.49 4.32
90 0.180
-0.298 0.011
-1.137 0.305 18.74 6.78
95 0.190
-0.296 0.010
-1.111 0.306 18.21 6.77
100 0.200
-0.298 0.012
-1.227 0.334 20.78 7.38
Translational Kinetic Energy: 0.0000 Rotational Kinetic Energy: 0.000
0
105 0.210
-0.294 0.013
-1.149 0.249 19.11 5.56
110 0.220
-0.298 0.011
-1.053 0.356 16.89 7.90
115 0.230
-0.295 0.011
-1.199 0.270 20.22 6.00
120 0.240
-0.299 0.008
-1.178 0.227 19.65 4.93
125 0.250
-0.298 0.009
-0.935 0.281 14.24 6.29
130 0.260
-0.299 0.010
-1.192 0.249 19.97 5.48
135 0.270
-0.299 0.008
-1.229 0.307 20.81 6.85
140 0.280
-0.299 0.013
-0.936 0.297 14.25 6.50
145 0.290
-0.300 0.010
-1.185 0.224 19.81 5.06
150 0.300
-0.300 0.013
-1.214 0.289 20.45 6.33
155 0.310
-0.299 0.012
-1.054 0.362 16.89 8.09
160 0.320
-0.298 0.011
-1.239 0.276 21.05 6.04
165 0.330
-0.300 0.010
-1.161 0.244 19.26 5.51
170 0.340
-0.296 0.010
-1.077 0.270 17.47 6.01
175 0.350
-0.301 0.009
-1.169 0.292 19.41 6.49
180 0.360
-0.296 0.009
-1.256 0.163 21.45 3.57
185 0.370
-0.300 0.011
-0.954 0.263 14.63 5.83
190 0.380
-0.298 0.009
-1.131 0.320 18.62 7.13
195 0.390
-0.298 0.012
-1.256 0.318 21.42 6.97
200 0.400
-0.298 0.011
-0.978 0.313 15.20 6.95

0
205
210
215
220
225
230
235
240
245
250
255
260
265
270
275
280
285
290
295
300
0.410
-0.299 0.011
-1.070
0.420
-0.299 0.011
-1.236
0.430
-0.299 0.010
-1.109
0.440
-0.299 0.010
-1.088
0.450
-0.298 0.010
-1.271
0.460
-0.299 0.010
-1.034
0.470
-0.296 0.010
-1.173
0.480
-0.301 0.009
-1.309
0.490
-0.295 0.013
-0.987
0.500
-0.300 0.013
-1.091
0.510
-0.296 0.011
-1.249
0.520
-0.298 0.012
-1.060
0.530
-0.299 0.009
-1.009
0.540
-0.299 0.010
-1.209
0.550
-0.298 0.008
-1.155
0.560
-0.299 0.011
-1.027
0.570
-0.298 0.008
-1.227
0.580
-0.299 0.012
-1.131
0.590
-0.299 0.012
-1.072
0.600
-0.297 0.011
-1.358
Translational Kinetic Energy: 0.0000
0.231 17.23 5.16

0.284 20.96 6.35
0.297 18.12 6.56
0.225 17.65 4.98
0.230 21.76 5.06
0.282 16.43 6.28
0.279 19.60 6.17
0.233 22.54 5.13
0.275 15.49 6.15
0.344 17.71 7.63
0.319 21.32 7.07
0.325 17.04 7.07
0.272 15.89 6.16
0.239 20.35 5.26
0.300 19.16 6.71
0.178 16.28 3.87
0.249 20.76 5.57
0.281 18.62 6.16
0.366 17.29 8.12
0.264 23.71 5.82
Rotational Kinetic Energy: 0.000
305
310
315
320
325
330
335
340
345
350
355
360
365
370
375
380
385
390
395
400
0.610
-0.299 0.012
-1.053
0.620
-0.296 0.011
-1.018
0.630
-0.300 0.008
-1.293
0.640
-0.296 0.010
-1.126
0.650
-0.300 0.009
-0.953
0.660
-0.298 0.008
-1.197
0.670
-0.298 0.012
-1.184
0.680
-0.299 0.009
-0.979
0.690
-0.301 0.014
-1.215
0.700
-0.300 0.012
-1.109
0.710
-0.300 0.013
-1.124
0.720
-0.300 0.010
-1.250
0.730
-0.297 0.011
-1.168
0.740
-0.301 0.009
-1.002
0.750
-0.296 0.009
-1.224
0.760
-0.300 0.009
-1.278
0.770
-0.296 0.010
-0.910
0.780
-0.297 0.011
-1.158
0.790
-0.297 0.010
-1.244
0.800
-0.298 0.012
-0.948
0.286 16.87 6.40

0.304 16.16 6.77
0.261 22.21 5.79
0.215 18.56 4.71
0.229 14.60 5.10
0.262 20.12 5.86
0.318 19.81 6.97
0.282 15.19 6.31
0.236 20.45 5.22
0.358 18.08 8.01
0.307 18.43 6.73
0.264 21.23 5.83
0.299 19.48 6.66
0.279 15.67 6.19
0.260 20.76 5.77
0.171 21.87 3.72
0.279 13.75 6.21
0.278 19.28 6.12
0.337 21.17 7.49
0.300 14.54 6.58
0
405
410
415
420
425
430
435
440
445
450
455
460
465
470
0.810
0.820
0.830
0.840
0.850
0.860
0.870
0.880
0.890
0.900
0.910
0.920
0.930
0.940
-0.299
-0.300
-0.298
-0.299
-0.298
-0.298
-0.300
-0.294
-0.300
-0.293
-0.299
-0.297
-0.299
-0.298
0.011
0.011
0.011
0.009
0.009
0.010
0.010
0.011
0.011
0.013
0.013
0.009
0.011
0.007
-1.154
-1.159
-1.068
-1.224
-1.171
-1.048
-1.178
-1.334
-0.968
-1.082
-1.278
-1.024
-1.058
-1.184
0.288
0.251
0.356
0.158
0.285
0.282
0.307
0.244
0.275
0.356
0.314
0.283
0.259
0.226
19.12
19.22
17.21
20.69
19.53
16.77
19.62
23.25
14.94
17.64
21.90
16.28
16.98
19.82
6.47
5.53
7.94
3.39
6.42
6.21
6.75
5.43
6.14
7.89
6.91
6.26
5.79
5.06
475
480
485
490
495
500
0.950
-0.298 0.011
-1.103
0.960
-0.298 0.007
-1.086
0.970
-0.300 0.013
-1.260
0.980
-0.299 0.012
-1.018
0.990
-0.298 0.011
-1.144
1.000
-0.298 0.011
-1.355
0.299 18.00 6.58

0.172 17.62 3.84
0.288 21.48 6.35
0.352 16.06 7.81
0.304 18.93 6.69
0.286 23.65 6.32
505
510
515
520
525
530
535
540
545
550
555
560
565
570
575
580
585
590
595
600
1.010
-0.295 0.012
-1.020
1.020
-0.298 0.009
-1.062
1.030
-0.295 0.010
-1.262
1.040
-0.299 0.008
-1.127
1.050
-0.297 0.009
-0.998
1.060
-0.299 0.011
-1.157
1.070
-0.299 0.009
-1.162
1.080
-0.300 0.013
-1.023
1.090
-0.300 0.011
-1.202
1.100
-0.300 0.014
-1.117
1.110
-0.299 0.011
-1.048
1.120
-0.298 0.010
-1.360
1.130
-0.300 0.010
-1.090
1.140
-0.296 0.009
-1.011
1.150
-0.301 0.008
-1.268
1.160
-0.296 0.010
-1.208
1.170
-0.300 0.011
-0.996
1.180
-0.298 0.010
-1.134
1.190
-0.298 0.013
-1.191
1.200
-0.298 0.011
-1.004
0.309 16.22 6.91

0.262 17.10 5.81
0.309 21.63 6.85
0.159 18.51 3.43
0.314 15.68 7.01
0.250 19.20 5.48
0.365 19.31 8.13
0.240 16.16 5.33
0.317 20.18 7.11
0.326 18.27 7.14
0.292 16.75 6.49
0.241 23.75 5.27
0.292 17.67 6.60
0.260 15.99 5.78
0.307 21.64 6.79
0.165 20.40 3.70
0.272 15.58 6.03
0.317 18.70 7.04
0.324 19.97 7.09
0.310 15.80 6.89
605
610
615
620
625
630
635
640
645
650
655
660
665
670
675
680
685
690
695
700
1.210
-0.299 0.010
-1.172
1.220
-0.299 0.011
-1.123
1.230
-0.299 0.010
-1.053
1.240
-0.299 0.009
-1.220
1.250
-0.298 0.011
-1.224
1.260
-0.298 0.009
-0.984
1.270
-0.296 0.011
-1.205
1.280
-0.300 0.011
-1.337
1.290
-0.295 0.013
-0.965
1.300
-0.300 0.011
-1.103
1.310
-0.295 0.011
-1.255
1.320
-0.299 0.011
-1.011
1.330
-0.298 0.008
-1.114
1.340
-0.298 0.011
-1.168
1.350
-0.298 0.008
-1.028
1.360
-0.299 0.012
-1.172
1.370
-0.298 0.011
-1.215
1.380
-0.298 0.013
-1.031
1.390
-0.298 0.011
-1.117
1.400
-0.298 0.011
-1.361
0.255 19.52 5.69

0.349 18.42 7.79
0.221 16.86 4.86
0.178 20.59 3.93
0.328 20.72 7.25
0.261 15.33 5.84
0.324 20.31 7.16
0.222 23.20 4.93
0.332 14.98 7.40
0.276 17.97 6.11
0.332 21.47 7.34
0.224 15.91 4.91
0.260 18.26 5.83
0.277 19.46 6.08
0.290 16.33 6.46
0.172 19.53 3.87
0.356 20.53 7.93
0.315 16.41 6.94
0.305 18.31 6.70
0.279 23.78 6.19
0
705
710
715
720
725
730
735
740
1.410
1.420
1.430
1.440
1.450
1.460
1.470
1.480
-0.299
-0.297
-0.301
-0.297
-0.301
-0.298
-0.299
-0.299
0.010
0.010
0.009
0.010
0.010
0.009
0.013
0.009
-1.054
-1.027
-1.300
-1.082
-1.050
-1.197
-1.062
-1.035
0.254
0.310
0.234
0.214
0.259
0.293
0.311
0.233
16.90
16.33
22.34
17.55
16.75
20.11
17.07
16.46
5.72
6.91
5.16
4.74
5.77
6.48
6.83
5.25
745
750
755
760
765
770
775
780
785
790
795
800
1.490
-0.300 0.014
-1.289
1.500
-0.300 0.011
-1.031
1.510
-0.300 0.013
-1.060
1.520
-0.300 0.009
-1.367
1.530
-0.298 0.011
-1.089
1.540
-0.302 0.008
-1.024
1.550
-0.298 0.009
-1.259
1.560
-0.300 0.010
-1.202
1.570
-0.296 0.012
-1.015
1.580
-0.297 0.012
-1.170
1.590
-0.296 0.012
-1.137
1.600
-0.298 0.012
-0.988
0.333 22.13 7.37

0.340 16.37 7.61
0.267 16.99 5.79
0.211 23.88 4.68
0.337 17.70 7.49
0.230 16.15 5.10
0.300 21.49 6.64
0.185 20.16 4.13
0.315 16.08 6.99
0.285 19.53 6.26
0.342 18.80 7.57
0.275 15.42 6.15
805
810
815
820
825
830
835
840
845
850
855
860
865
870
875
880
885
890
895
900
1.610
-0.297 0.011
-1.238
1.620
-0.297 0.011
-1.103
1.630
-0.298 0.011
-0.973
1.640
-0.298 0.011
-1.321
1.650
-0.298 0.009
-1.164
1.660
-0.298 0.011
-0.989
1.670
-0.301 0.011
-1.243
1.680
-0.295 0.012
-1.262
1.690
-0.300 0.011
-1.011
1.700
-0.294 0.012
-1.166
1.710
-0.299 0.011
-1.183
1.720
-0.296 0.010
-0.979
1.730
-0.297 0.011
-1.208
1.740
-0.296 0.006
-1.146
1.750
-0.297 0.011
-0.961
1.760
-0.299 0.009
-1.199
1.770
-0.300 0.013
-1.251
1.780
-0.301 0.011
-0.985
1.790
-0.301 0.012
-1.135
1.800
-0.300 0.010
-1.363
0.325 21.06 7.25

0.290 18.01 6.40
0.221 15.10 4.93
0.168 22.88 3.64
0.323 19.37 7.28
0.311 15.45 6.84
0.305 21.08 6.69
0.301 21.62 6.71
0.287 15.90 6.39
0.315 19.51 6.96
0.286 19.77 6.32
0.220 15.27 4.89
0.280 20.37 6.21
0.273 19.02 6.07
0.240 14.84 5.28
0.192 20.14 4.35
0.389 21.28 8.63
0.308 15.31 6.84
0.308 18.66 6.73
0.254 23.77 5.68
905
910
915
920
925
930
935
940
945
950
955
960
965
970
975
980
985
990
995
1000
1.810
-0.298 0.010
-1.020
1.820
-0.299 0.009
-1.117
1.830
-0.296 0.011
-1.249
1.840
-0.299 0.009
-1.016
1.850
-0.295 0.009
-1.174
1.860
-0.299 0.012
-1.172
1.870
-0.296 0.010
-0.968
1.880
-0.300 0.013
-1.122
1.890
-0.299 0.011
-1.261
1.900
-0.300 0.013
-1.030
1.910
-0.300 0.010
-1.060
1.920
-0.299 0.011
-1.339
1.930
-0.300 0.009
-1.100
1.940
-0.297 0.008
-1.059
1.950
-0.299 0.009
-1.271
1.960
-0.294 0.012
-1.090
1.970
-0.297 0.013
-1.102
1.980
-0.294 0.012
-1.227
1.990
-0.296 0.013
-1.014
2.000
-0.295 0.011
-1.025
0.316 16.16 7.06

0.229 18.28 5.08
0.278 21.31 6.15
0.184 16.03 4.08
0.294 19.66 6.53
0.287 19.54 6.32
0.321 15.03 7.13
0.300 18.40 6.73
0.353 21.52 7.90
0.361 16.33 7.96
0.204 17.00 4.50
0.261 23.24 5.74
0.279 17.88 6.27
0.267 17.05 5.88
0.269 21.74 5.92
0.244 17.81 5.50
0.305 18.02 6.75
0.319 20.86 7.04
0.284 16.06 6.24
0.297 16.33 6.64
0
1005 2.010
1010 2.020
-0.297 0.010
-0.298 0.009
-1.295 0.302
-1.055 0.321
22.32 6.71
16.91 7.17
1015
1020
1025
1030
1035
1040
1045
1050
1055
1060
1065
1070
1075
1080
1085
1090
1095
1100
2.030
-0.299 0.010
-0.972
2.040
-0.300 0.009
-1.308
2.050
-0.299 0.013
-1.157
2.060
-0.299 0.009
-1.041
2.070
-0.298 0.012
-1.228
2.080
-0.300 0.012
-1.185
2.090
-0.294 0.012
-1.102
2.100
-0.300 0.011
-1.176
2.110
-0.294 0.011
-1.126
2.120
-0.299 0.011
-0.987
2.130
-0.297 0.007
-1.257
2.140
-0.299 0.012
-1.146
2.150
-0.300 0.008
-0.902
2.160
-0.300 0.013
-1.245
2.170
-0.299 0.011
-1.223
2.180
-0.299 0.012
-0.992
2.190
-0.299 0.011
-1.197
2.200
-0.298 0.011
-1.235
0.179 15.05 3.92

0.171 22.55 3.85
0.390 19.18 8.60
0.247 16.58 5.50
0.353 20.80 7.74
0.299 19.81 6.74
0.317 18.07 7.05
0.301 19.59 6.68
0.218 18.61 4.79
0.288 15.39 6.43
0.271 21.46 6.04
0.313 18.95 6.87
0.227 13.48 5.06
0.254 21.12 5.66
0.353 20.66 7.87
0.328 15.48 7.24
0.254 20.07 5.58
0.319 20.94 7.08
1105
1110
1115
1120
1125
1130
1135
1140
1145
1150
1155
1160
1165
1170
1175
1180
1185
1190
1195
1200
2.210
-0.299 0.009
-1.075
2.220
-0.296 0.009
-1.172
2.230
-0.299 0.010
-1.182
2.240
-0.294 0.011
-1.020
2.250
-0.301 0.011
-1.213
2.260
-0.296 0.011
-1.195
2.270
-0.299 0.014
-0.917
2.280
-0.299 0.009
-1.119
2.290
-0.300 0.013
-1.291
2.300
-0.300 0.010
-1.027
2.310
-0.300 0.012
-1.051
2.320
-0.298 0.009
-1.308
2.330
-0.298 0.010
-1.097
2.340
-0.300 0.009
-1.117
2.350
-0.296 0.009
-1.244
2.360
-0.299 0.011
-1.038
2.370
-0.296 0.013
-1.187
2.380
-0.298 0.012
-1.229
2.390
-0.297 0.011
-0.968
2.400
-0.300 0.010
-1.052
0.237 17.36 5.31

0.305 19.60 6.78
0.201 19.75 4.48
0.244 16.24 5.42
0.330 20.40 7.34
0.294 20.11 6.48
0.302 13.82 6.63
0.268 18.34 6.06
0.391 22.18 8.64
0.291 16.26 6.53
0.218 16.79 4.68
0.273 22.59 6.14
0.270 17.86 5.97
0.249 18.26 5.46
0.260 21.19 5.77
0.282 16.53 6.31
0.339 19.93 7.51
0.305 20.82 6.74
0.270 15.00 5.93
0.319 16.81 7.17
0
1205
1210
1215
1220
1225
1230
1235
1240
1245
1250
1255
1260
1265
1270
1275
1280
1285
1290
2.410
2.420
2.430
2.440
2.450
2.460
2.470
2.480
2.490
2.500
2.510
2.520
2.530
2.540
2.550
2.560
2.570
2.580
-0.299
-0.299
-0.299
-0.299
-0.299
-0.299
-0.301
-0.297
-0.301
-0.295
-0.301
-0.297
-0.299
-0.297
-0.298
-0.299
-0.300
-0.299
0.010
0.010
0.008
0.012
0.009
0.013
0.012
0.011
0.011
0.011
0.010
0.009
0.012
0.007
0.011
0.011
0.013
0.010
-1.301
-1.059
-0.981
-1.271
-1.159
-1.052
-1.253
-1.138
-1.089
-1.293
-1.033
-0.981
-1.313
-1.118
-0.902
-1.249
-1.175
-1.046
0.306
0.298
0.135
0.276
0.290
0.324
0.289
0.309
0.339
0.250
0.219
0.256
0.307
0.271
0.231
0.258
0.372
0.241
22.40
16.99
15.25
21.73
19.22
16.82
21.29
18.83
17.62
22.32
16.37
15.30
22.68
18.37
13.50
21.23
19.59
16.70
6.83
6.55
3.05
6.07
6.50
7.08
6.43
6.88
7.51
5.52
4.85
5.70
6.77
5.99
5.10
5.82
8.24
5.35
1295 2.590
-0.300 0.011
-1.174 0.273 19.54 5.98
1300 2.600
-0.299 0.011
-1.194 0.315 20.01 7.07
0
1305
1310
1315
1320
1325
1330
1335
1340
1345
1350
1355
1360
1365
1370
1375
1380
1385
1390
1395
1400
2.610
-0.299 0.009
-1.103
2.620
-0.300 0.010
-1.214
2.630
-0.296 0.010
-1.194
2.640
-0.301 0.009
-0.940
2.650
-0.295 0.011
-1.287
2.660
-0.300 0.013
-1.203
2.670
-0.297 0.010
-0.858
2.680
-0.300 0.013
-1.183
2.690
-0.300 0.011
-1.255
2.700
-0.300 0.013
-0.986
2.710
-0.299 0.008
-1.151
2.720
-0.300 0.010
-1.213
2.730
-0.300 0.009
-1.075
2.740
-0.299 0.011
-1.222
2.750
-0.300 0.011
-1.202
2.760
-0.296 0.012
-1.010
2.770
-0.299 0.013
-1.198
2.780
-0.295 0.013
-1.281
2.790
-0.298 0.011
-0.914
2.800
-0.296 0.011
-1.081
0.297 17.99 6.55

0.271 20.43 6.01
0.192 20.07 4.28
0.321 14.28 7.16
0.281 22.20 6.21
0.313 20.21 6.88
0.245 12.55 5.44
0.345 19.75 7.66
0.302 21.35 6.79
0.309 15.34 6.79
0.159 19.06 3.57
0.274 20.42 6.04
0.256 17.33 5.70
0.288 20.66 6.32
0.290 20.17 6.46
0.303 15.97 6.76
0.386 20.12 8.56
0.273 22.07 5.99
0.217 13.77 4.77
0.317 17.57 7.09
1405
1410
1415
1420
1425
1430
1435
1440
1445
1450
1455
1460
1465
1470
1475
1480
1485
1490
1495
1500
2.810
-0.297 0.009
-1.288
2.820
-0.298 0.007
-1.041
2.830
-0.299 0.011
-1.006
2.840
-0.300 0.010
-1.261
2.850
-0.301 0.014
-1.083
2.860
-0.300 0.011
-1.124
2.870
-0.299 0.012
-1.304
2.880
-0.300 0.012
-0.990
2.890
-0.295 0.012
-1.199
2.900
-0.301 0.011
-1.289
2.910
-0.294 0.009
-0.995
2.920
-0.298 0.010
-1.034
2.930
-0.296 0.009
-1.282
2.940
-0.298 0.012
-1.107
2.950
-0.299 0.008
-0.954
2.960
-0.299 0.013
-1.206
2.970
-0.300 0.011
-1.150
2.980
-0.300 0.012
-1.056
2.990
-0.300 0.012
-1.254
3.000
-0.300 0.010
-1.104
0.281 22.16 6.18

0.249 16.61 5.56
0.216 15.83 4.76
0.285 21.50 6.41
0.311 17.50 6.79
0.287 18.42 6.38
0.292 22.48 6.41
0.353 15.44 7.93
0.294 20.22 6.51
0.312 22.12 6.90
0.139 15.68 3.12
0.323 16.44 7.20
0.292 22.04 6.49
0.286 18.11 6.22
0.245 14.64 5.50
0.331 20.27 7.33
0.306 19.03 6.82
0.269 16.90 5.90
0.274 21.35 6.11
0.307 17.99 6.79
0
1505
1510
1515
1520
1525
1530
1535
1540
1545
1550
1555
1560
3.010
3.020
3.030
3.040
3.050
3.060
3.070
3.080
3.090
3.100
3.110
3.120
-0.299
-0.296
-0.298
-0.294
-0.300
-0.294
-0.298
-0.297
-0.299
-0.299
-0.299
-0.297
0.010
0.009
0.010
0.011
0.012
0.012
0.014
0.010
0.012
0.009
0.011
0.008
-1.067
-1.339
-1.080
-1.008
-1.281
-1.166
-0.921
-1.174
-1.172
-1.043
-1.188
-1.132
0.269
0.276
0.224
0.281
0.371
0.254
0.292
0.340
0.321
0.252
0.185
0.337
17.16
23.32
17.49
15.98
21.93
19.49
13.93
19.61
19.54
16.66
19.88
18.68
5.95
6.10
5.08
6.24
8.24
5.57
6.40
7.65
7.06
5.65
4.05
7.54
1565
1570
1575
1580
1585
1590
1595
1600
3.130
-0.298 0.012
-1.087
3.140
-0.298 0.011
-1.227
3.150
-0.294 0.011
-1.232
3.160
-0.296 0.012
-0.955
3.170
-0.293 0.013
-1.246
3.180
-0.297 0.011
-1.261
3.190
-0.294 0.011
-0.918
3.200
-0.299 0.010
-1.128
0.231 17.65 5.03

0.279 20.77 6.10
0.311 20.97 6.97
0.352 14.74 7.83
0.360 21.32 7.97
0.237 21.58 5.22
0.214 13.96 4.74
0.324 18.55 7.22
1605
1610
1615
1620
1625
1630
1635
1640
1645
1650
1655
1660
1665
1670
1675
1680
1685
1690
1695
1700
3.210
-0.297 0.009
-1.227
3.220
-0.299 0.010
-1.020
3.230
-0.299 0.008
-1.133
3.240
-0.299 0.013
-1.150
3.250
-0.299 0.010
-1.055
3.260
-0.300 0.015
-1.209
3.270
-0.298 0.012
-1.240
3.280
-0.296 0.010
-1.041
3.290
-0.300 0.011
-1.126
3.300
-0.295 0.011
-1.339
3.310
-0.301 0.008
-1.002
3.320
-0.297 0.009
-1.041
3.330
-0.299 0.012
-1.281
3.340
-0.297 0.009
-1.065
3.350
-0.298 0.012
-1.018
3.360
-0.299 0.012
-1.212
3.370
-0.299 0.012
-1.053
3.380
-0.298 0.011
-1.107
3.390
-0.298 0.011
-1.301
3.400
-0.297 0.011
-1.006
0.277 20.79 6.17

0.272 16.14 5.94
0.235 18.64 5.33
0.326 19.04 7.16
0.295 16.90 6.59
0.281 20.34 6.06
0.361 21.06 8.14
0.290 16.66 6.41
0.381 18.48 8.43
0.213 23.35 4.72
0.169 15.69 3.75
0.322 16.63 7.15
0.275 21.96 6.05
0.253 17.16 5.56
0.288 16.09 6.39
0.344 20.41 7.69
0.297 16.86 6.56
0.228 18.08 5.07
0.265 22.43 5.85
0.316 15.87 7.09
1705
1710
1715
1720
1725
1730
1735
1740
1745
1750
1755
1760
1765
1770
1775
1780
1785
1790
1795
1800
3.410
-0.297 0.009
-1.119
3.420
-0.298 0.011
-1.311
3.430
-0.294 0.010
-1.124
3.440
-0.300 0.011
-1.004
3.450
-0.293 0.012
-1.246
3.460
-0.298 0.013
-1.172
3.470
-0.296 0.011
-0.968
3.480
-0.299 0.013
-1.173
3.490
-0.298 0.010
-1.123
3.500
-0.297 0.011
-1.027
3.510
-0.295 0.007
-1.263
3.520
-0.298 0.012
-1.103
3.530
-0.298 0.011
-0.994
3.540
-0.297 0.012
-1.348
3.550
-0.298 0.011
-1.171
3.560
-0.296 0.012
-0.991
3.570
-0.299 0.012
-1.228
3.580
-0.296 0.012
-1.229
3.590
-0.300 0.010
-0.972
3.600
-0.297 0.009
-1.160
0.269 18.40 5.86

0.245 22.66 5.44
0.247 18.55 5.54
0.380 15.75 8.43
0.315 21.32 6.98
0.260 19.53 5.65
0.332 15.04 7.41
0.324 19.57 7.14
0.295 18.45 6.61
0.191 16.33 4.16
0.235 21.64 5.27
0.278 18.02 6.12
0.256 15.58 5.63
0.276 23.50 6.03
0.332 19.52 7.47
0.346 15.54 7.68
0.370 20.78 8.21
0.221 20.86 4.87
0.213 15.03 4.71
0.313 19.30 6.98
0
1805
1810
1815
1820
1825
1830
3.610
3.620
3.630
3.640
3.650
3.660
-0.299
-0.298
-0.299
-0.299
-0.300
-0.299
0.010
0.008
0.013
0.010
0.014
0.012
-1.163
-1.018
-1.182
-1.135
-1.008
-1.207
0.234
0.239
0.292
0.373
0.242
0.288
19.33
16.12
19.76
18.70
15.84
20.31
5.11
5.36
6.46
8.35
5.26
6.40
1835
1840
1845
1850
1855
1860
1865
1870
1875
1880
1885
1890
1895
1900
3.670
-0.299 0.013
-1.333
3.680
-0.300 0.011
-0.932
3.690
-0.297 0.010
-1.184
3.700
-0.302 0.009
-1.324
3.710
-0.296 0.010
-0.991
3.720
-0.299 0.010
-1.130
3.730
-0.296 0.011
-1.197
3.740
-0.297 0.012
-1.026
3.750
-0.297 0.010
-1.138
3.760
-0.297 0.013
-1.151
3.770
-0.297 0.012
-1.000
3.780
-0.298 0.011
-1.154
3.790
-0.298 0.011
-1.300
3.800
-0.299 0.010
-1.016
0.333 23.13 7.37

0.331 14.15 7.38
0.303 19.84 6.71
0.209 22.87 4.62
0.221 15.56 4.97
0.287 18.59 6.37
0.302 20.16 6.68
0.249 16.31 5.39
0.346 18.81 7.76
0.338 19.10 7.46
0.305 15.72 6.79
0.192 19.13 4.20
0.330 22.42 7.40
0.264 16.02 5.79
1905
1910
1915
1920
1925
1930
1935
1940
1945
1950
1955
1960
1965
1970
1975
1980
1985
1990
1995
2000
3.810
-0.299 0.010
-1.049
3.820
-0.297 0.011
-1.401
3.830
-0.300 0.010
-1.053
3.840
-0.295 0.012
-1.075
3.850
-0.300 0.012
-1.252
3.860
-0.294 0.013
-1.071
3.870
-0.298 0.013
-1.068
3.880
-0.297 0.010
-1.197
3.890
-0.298 0.010
-1.023
3.900
-0.298 0.007
-1.057
3.910
-0.299 0.012
-1.331
3.920
-0.299 0.009
-1.005
3.930
-0.300 0.013
-1.046
3.940
-0.300 0.011
-1.322
3.950
-0.297 0.012
-1.176
3.960
-0.299 0.012
-1.034
3.970
-0.296 0.012
-1.203
3.980
-0.299 0.009
-1.190
3.990
-0.295 0.011
-1.023
4.000
-0.299 0.011
-1.201
0.281 16.78 6.24

0.242 24.70 5.33
0.286 16.84 6.40
0.334 17.45 7.43
0.332 21.31 7.36
0.254 17.36 5.60
0.308 17.22 6.80
0.319 20.14 7.15
0.241 16.21 5.28
0.207 16.97 4.67
0.280 23.07 6.21
0.330 15.78 7.35
0.263 16.69 5.73
0.268 22.87 5.86
0.371 19.66 8.30
0.332 16.45 7.37
0.337 20.28 7.48
0.153 19.94 3.40
0.305 16.28 6.79
0.264 20.17 5.82
2005
2010
2015
2020
2025
2030
2035
2040
2045
2050
2055
2060
2065
2070
2075
2080
2085
2090
2095
2100
4.010
-0.296 0.009
-1.097
4.020
-0.299 0.012
-0.996
4.030
-0.299 0.010
-1.283
4.040
-0.300 0.013
-1.074
4.050
-0.299 0.011
-0.944
4.060
-0.301 0.014
-1.324
4.070
-0.299 0.011
-1.196
4.080
-0.298 0.011
-1.030
4.090
-0.300 0.010
-1.176
4.100
-0.295 0.010
-1.252
4.110
-0.300 0.008
-1.053
4.120
-0.296 0.011
-1.163
4.130
-0.298 0.012
-1.154
4.140
-0.296 0.011
-1.007
4.150
-0.298 0.013
-1.201
4.160
-0.298 0.011
-1.140
4.170
-0.300 0.012
-0.968
4.180
-0.299 0.011
-1.154
4.190
-0.299 0.011
-1.311
4.200
-0.298 0.009
-0.991
0.262 17.92 5.80

0.248 15.58 5.44
0.343 22.01 7.70
0.294 17.33 6.46
0.334 14.42 7.45
0.217 22.88 4.73
0.360 20.06 8.10
0.309 16.37 6.81
0.310 19.60 6.85
0.228 21.40 5.09
0.223 16.84 4.95
0.317 19.40 7.02
0.230 19.14 5.04
0.279 15.91 6.14
0.371 20.20 8.25
0.362 18.82 8.03
0.285 14.96 6.31
0.204 19.11 4.58
0.322 22.64 7.13
0.271 15.51 6.05
2105
2110
2115
2120
2125
2130
2135
2140
2145
2150
2155
2160
2165
2170
2175
2180
2185
2190
2195
2200
4.210
-0.298 0.010
-1.116
4.220
-0.299 0.010
-1.298
4.230
-0.296 0.012
-1.081
4.240
-0.300 0.011
-1.155
4.250
-0.294 0.013
-1.188
4.260
-0.298 0.012
-1.048
4.270
-0.295 0.012
-1.159
4.280
-0.299 0.012
-1.163
4.290
-0.297 0.008
-0.999
4.300
-0.298 0.012
-1.089
4.310
-0.296 0.008
-1.281
4.320
-0.298 0.013
-1.053
4.330
-0.298 0.012
-1.005
4.340
-0.297 0.012
-1.326
4.350
-0.297 0.010
-1.139
4.360
-0.296 0.013
-1.070
4.370
-0.298 0.010
-1.224
4.380
-0.296 0.010
-1.111
4.390
-0.301 0.009
-1.102
4.400
-0.296 0.010
-1.222
0.250 18.29 5.44

0.233 22.35 5.21
0.337 17.56 7.49
0.320 19.13 7.06
0.324 19.99 7.20
0.208 16.78 4.56
0.406 19.31 9.03
0.253 19.32 5.53
0.295 15.69 6.57
0.245 17.69 5.49
0.295 22.02 6.57
0.295 16.88 6.50
0.268 15.81 5.88
0.270 23.02 5.93
0.313 18.85 7.03
0.342 17.30 7.58
0.270 20.70 5.97
0.207 18.24 4.61
0.305 17.93 6.78
0.243 20.71 5.36
2205
2210
2215
2220
2225
2230
2235
2240
2245
2250
2255
2260
2265
2270
2275
2280
2285
2290
2295
2300
4.410
-0.299 0.012
-1.060
4.420
-0.296 0.009
-0.996
4.430
-0.298 0.013
-1.285
4.440
-0.298 0.010
-1.067
4.450
-0.300 0.014
-0.988
4.460
-0.299 0.012
-1.246
4.470
-0.298 0.013
-1.217
4.480
-0.298 0.010
-1.049
4.490
-0.297 0.009
-1.169
4.500
-0.301 0.008
-1.227
4.510
-0.296 0.010
-1.057
4.520
-0.298 0.010
-1.224
4.530
-0.295 0.012
-1.141
4.540
-0.297 0.013
-0.952
4.550
-0.296 0.012
-1.256
4.560
-0.297 0.012
-1.132
4.570
-0.295 0.011
-0.934
4.580
-0.296 0.010
-1.202
4.590
-0.296 0.010
-1.239
4.600
-0.298 0.011
-1.031
0.226 17.02 4.91

0.281 15.65 6.28
0.342 22.08 7.57
0.374 17.20 8.35
0.260 15.40 5.73
0.230 21.17 5.13
0.365 20.55 8.06
0.252 16.80 5.60
0.281 19.51 6.22
0.173 20.71 3.89
0.348 17.03 7.73
0.240 20.69 5.33
0.262 18.93 5.78
0.306 14.65 6.78
0.376 21.47 8.36
0.309 18.69 6.80
0.301 14.29 6.69
0.182 20.28 4.09
0.298 21.08 6.68
0.241 16.40 5.25
0
2305
2310
2315
2320
2325
2330
2335
2340
2345
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2355
2360
2365
2370
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18.05
22.09
17.23
20.24
20.20
15.48
19.64
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15.22
17.06
22.51
16.08
16.86
22.77
16.99
19.87
5.84
6.43
7.44
7.74
5.56
6.01
7.95
5.39
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5.03
7.47
6.23
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5.28
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2385
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2400
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0.290 20.59 6.42

0.184 16.36 4.16
0.348 19.09 7.73
0.221 21.15 4.86
2405
2410
2415
2420
2425
2430
2435
2440
2445
2450
2455
2460
2465
2470
2475
2480
2485
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2500
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5.000
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0.251 16.81 5.51

0.351 15.53 7.85
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0.197 20.05 4.52
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2505
2510
2515
2520
2525
2530
2535
2540
2545
2550
2555
2560
2565
2570
2575
2580
2585
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2600
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5.200
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0.256 19.42 5.54

0.307 20.19 6.90
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0.238 20.02 5.23
0.262 15.20 5.80
0.338 18.38 7.57
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0.233 18.47 5.18
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0
2605
2610
2615
2620
2625
2630
2635
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2645
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16.37
16.06
21.21
17.21
16.53
21.23
16.56
19.65
21.22
17.06
5.18
7.70
7.73
7.27
6.25
5.26
7.14
4.13
5.37
6.73
2655
2660
2665
2670
2675
2680
2685
2690
2695
2700
5.310
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5.320
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5.330
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5.340
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5.390
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5.400
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0.373 18.39 8.25

0.286 21.74 6.37
0.222 19.23 4.87
0.408 14.30 9.09
0.306 21.01 6.74
0.303 18.84 6.68
0.243 15.48 5.43
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0.271 18.03 6.07
0.260 17.18 5.68
2705
2710
2715
2720
2725
2730
2735
2740
2745
2750
2755
2760
2765
2770
2775
2780
2785
2790
2795
2800
5.410
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5.460
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5.580
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5.590
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5.600
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0.241 20.94 5.39

0.370 18.77 8.17
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0.311 22.86 6.86
0.237 19.59 5.32
0.271 14.88 6.05
0.348 20.71 7.74
0.201 19.99 4.43
0.270 15.96 5.92
0.306 18.28 6.85
0.362 18.78 7.95
0.268 17.44 6.02
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0.329 20.88 7.36
0.297 15.40 6.48
0.275 21.00 6.14
0.222 22.50 4.90
0.309 13.91 6.90
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0.256 21.09 5.67
2805
2810
2815
2820
2825
2830
2835
2840
2845
2850
2855
2860
2865
2870
2875
2880
2885
2890
2895
2900
5.610
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5.620
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5.630
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5.640
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5.660
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5.700
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5.720
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5.740
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5.780
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5.790
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5.800
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0.232 16.93 5.10

0.408 17.29 9.09
0.314 19.61 6.94
0.325 17.06 7.14
0.237 17.94 5.37
0.305 20.44 6.74
0.235 15.88 5.26
0.217 19.49 4.72
0.231 22.31 5.14
0.346 16.36 7.66
0.376 17.83 8.28
0.289 23.11 6.44
0.266 18.11 5.92
0.317 15.61 7.05
0.269 20.84 5.96
0.269 17.74 5.98
0.226 16.53 4.96
0.290 21.31 6.51
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0
2905
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5.810
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0.235
0.424
0.330
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21.72
17.31
17.81
21.25
5.10
9.53
7.21
6.61
2925
2930
2935
2940
2945
2950
2955
2960
2965
2970
2975
2980
2985
2990
2995
3000
5.850
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5.860
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5.870
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5.880
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5.900
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5.920
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5.940
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5.970
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5.980
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5.990
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6.000
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0.220 21.15 4.92

0.353 14.46 7.85
0.217 21.06 4.80
0.255 19.52 5.65
0.234 15.86 5.17
0.341 20.16 7.53
0.285 16.97 6.32
0.324 16.50 7.18
0.240 21.41 5.43
0.368 18.61 8.15
0.283 15.43 6.29
0.229 21.86 4.99
0.264 21.00 5.91
0.304 15.84 6.75
0.307 19.82 6.76
0.276 21.17 6.12
3005
3010
3015
3020
3025
3030
3035
3040
3045
3050
3055
3060
3065
3070
3075
3080
3085
3090
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3100
6.010
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6.110
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6.180
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6.190
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6.200
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0.265 16.70 5.87

0.369 18.57 8.18
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0.308 16.68 6.91
0.230 18.49 5.08
0.337 20.96 7.55
0.234 14.65 5.12
0.204 19.51 4.54
0.253 22.90 5.53
0.403 15.25 8.99
0.308 19.91 6.80
0.324 21.13 7.21
0.223 18.25 4.95
0.362 17.51 8.05
0.222 19.52 4.90
0.252 17.34 5.55
0.298 18.08 6.67
0.306 20.51 6.68
0.312 15.24 6.97
0.254 17.62 5.63
0
3105
3110
3115
3120
3125
3130
3135
3140
3145
3150
3155
3160
3165
3170
3175
3180
3185
3190
3195
3200
6.210
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0.012
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0.445
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0.271
0.331
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22.31
17.88
16.48
22.47
19.08
16.75
20.96
18.21
16.76
21.18
15.70
16.85
20.72
18.89
16.29
20.00
22.21
15.12
21.21
19.68
6.17
8.93
6.39
6.17
5.31
6.44
5.16
5.67
5.88
7.87
7.17
6.96
4.81
9.92
3.93
5.41
5.99
7.35
6.26
6.58

0
3205
3210
3215
3220
3225
3230
3235
3240
3245
3250
3255
3260
3265
3270
3275
3280
3285
3290
3295
3300
6.410
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6.440
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6.590
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6.600
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0.293 16.78 6.51

0.349 20.56 7.73
0.289 17.76 6.37
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0.244 20.26 5.53
0.353 20.36 7.77
0.225 14.50 5.01
0.220 19.37 4.85
0.322 21.90 7.18
0.355 16.82 7.82
0.320 19.10 7.06
0.307 21.36 6.83
0.268 17.22 5.98
0.328 19.14 7.30
0.162 19.96 3.53
0.305 16.19 6.78
0.268 17.79 5.94
0.372 22.04 8.27
0.296 14.32 6.50
0.261 17.23 5.87
3305
3310
3315
3320
3325
3330
3335
3340
3345
3350
3355
3360
3365
3370
3375
3380
3385
3390
3395
3400
6.610
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6.620
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6.650
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6.660
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6.670
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6.680
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6.690
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6.700
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6.710
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6.720
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6.730
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6.740
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6.750
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6.760
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6.770
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6.780
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6.790
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6.800
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0.273 22.92 6.01

0.413 16.19 9.24
0.248 19.06 5.40
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0.282 19.15 6.28
0.314 18.26 6.93
0.224 20.88 4.99
0.246 17.17 5.44
0.349 17.00 7.76
0.313 22.30 6.84
0.305 15.75 6.75
0.273 15.18 6.07
0.291 22.19 6.56
0.334 18.45 7.38
0.225 15.57 5.03
0.230 21.36 5.00
0.303 19.34 6.80
0.319 17.59 7.03
0.265 21.37 5.86
0.329 18.55 7.33
0
3405
3410
3415
3420
3425
3430
3435
3440
3445
3450
3455
3460
3465
3470
6.810
6.820
6.830
6.840
6.850
6.860
6.870
6.880
6.890
6.900
6.910
6.920
6.930
6.940
-0.299
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6.32
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7.35
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6.46
6.05
6.74
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3475
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0.230 19.58 5.09

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3505
3510
3515
3520
3525
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3535
3540
3545
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3565
3570
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3605
3610
3615
3620
3625
3630
3635
3640
3645
3650
3655
3660
3665
3670
3675
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0.274 22.95 6.05
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0.240 15.28 5.36
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0.321 18.25 7.16
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3705
3710
3715
3720
3725
3730
3735
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15.48
21.70
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7.84
5.41
5.08
5.33
6.58
5.88
6.04
5.67
3745
3750
3755
3760
3765
3770
3775
3780
3785
3790
3795
3800
7.490
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0.420 18.64 9.33

0.292 21.71 6.39
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0.239 17.20 5.24
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3805
3810
3815
3820
3825
3830
3835
3840
3845
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3855
3860
3865
3870
3875
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0.263 23.30 5.79
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3905
3910
3915
3920
3925
3930
3935
3940
3945
3950
3955
3960
3965
3970
3975
3980
3985
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0.329 18.43 7.38

0.215 16.21 4.68
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21.49 5.94
4015
4020
4025
4030
4035
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4045
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4055
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4065
4070
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0.154 17.43 3.40

0.291 17.42 6.48
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4105
4110
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4120
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0.369 16.66 8.11

0.150 16.88 3.40
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4210
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4305
4310
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0.267 16.03 5.98

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4405
4410
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4505
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4905
4910
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4975
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5010
5015
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5110
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5210
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5310
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5320
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5410
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5445
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0.238 21.82 5.35

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5505
5510
5515
5520
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5545
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6810
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9110
9115
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0
9205
9210
9215
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9310
9315
9320
9325
9330
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9340
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9350
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9360
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9410
9415
9420
9425
9430
9435
9440
9445
9450
9455
9460
9465
9470
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19.96
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20.75
20.91
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19.17
23.41
16.35
17.61
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16.52
6.37
7.35
6.20
8.30
5.01
4.29
6.93
6.71
6.31
6.51
6.43
8.11
6.62
5.69
9475
9480
9485
9490
9495
9500
18.950
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19.000
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0.272 17.70 6.06

0.297 19.80 6.62
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9505
9510
9515
9520
9525
9530
9535
9540
9545
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9555
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19.200
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0.287 17.68 6.20

0.309 23.24 6.94
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0.268 21.09 5.92
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0.272 15.80 6.08
0.302 20.02 6.68
9605
9610
9615
9620
9625
9630
9635
9640
9645
9650
9655
9660
9665
9670
9675
9680
9685
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9700
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0.298 19.17 6.54

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9705
9710
9715
9720
9725
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9735
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19.410
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5.39
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6.54
5.68
5.02
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6.35
9745
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9755
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0.264 15.27 5.78

0.306 17.08 6.86
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9805
9810
9815
9820
9825
9830
9835
9840
9845
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9855
9860
9865
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9900
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9905
9910
9915
9920
9925
9930
9935
9940
9945
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9955
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9965
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9975
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20.000
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0.200 19.22 4.30

0.334 20.77 7.51
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0
10005 20.010
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15.98 4.72
16.28 7.60
10015
10020
10025
10030
10035
10040
10045
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10055
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10105
10110
10115
10120
10125
10130
10135
10140
10145
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10155
10160
10165
10170
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0.301 19.02 6.72

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10205
10210
10215
10220
10225
10230
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36.240
36.250
36.260
36.270
36.280
36.290
36.300
36.310
36.320
36.330
36.340
36.350
36.360
36.370
36.380
36.390
36.400
0
-0.300
-0.300
-0.302
-0.302
-0.302
-0.301
-0.302
-0.300
-0.298
-0.301
-0.295
-0.302
-0.296
-0.300
-0.300
-0.301
-0.300
-0.300
-0.300
-0.301
0.012
0.009
0.010
0.009
0.011
0.009
0.012
0.010
0.010
0.011
0.011
0.010
0.011
0.011
0.009
0.011
0.008
0.012
0.010
0.013
-1.221
-1.022
-1.023
-1.297
-1.114
-0.960
-1.310
-1.201
-1.045
-1.164
-1.230
-1.063
-1.160
-1.124
-0.990
-1.232
-1.191
-0.895
-1.215
-1.311
0.309
0.276
0.260
0.219
0.370
0.222
0.205
0.311
0.300
0.345
0.217
0.302
0.309
0.256
0.290
0.271
0.306
0.285
0.196
0.274
20.61
16.14
16.13
22.25
18.16
14.72
22.56
20.15
16.69
19.30
20.90
17.02
19.31
18.43
15.43
20.81
19.92
13.31
20.47
22.60
6.81
6.12
5.78
4.96
8.18
4.95
4.42
7.00
6.63
7.64
4.82
6.70
6.86
5.54
6.49
6.01
6.81
6.26
4.40
6.03

0
18205
18210
18215
18220
18225
18230
18235
18240
18245
18250
18255
18260
18265
18270
18275
18280
18285
18290
18295
18300
36.410
-0.299 0.012
-0.969
36.420
-0.298 0.010
-1.191
36.430
-0.298 0.011
-1.231
36.440
-0.295 0.012
-1.112
36.450
-0.301 0.009
-1.117
36.460
-0.295 0.010
-1.197
36.470
-0.301 0.011
-1.023
36.480
-0.298 0.010
-1.134
36.490
-0.300 0.013
-1.234
36.500
-0.300 0.009
-0.934
36.510
-0.301 0.012
-1.105
36.520
-0.300 0.011
-1.321
36.530
-0.300 0.013
-1.057
36.540
-0.300 0.009
-1.026
36.550
-0.298 0.010
-1.331
36.560
-0.301 0.010
-1.099
36.570
-0.297 0.011
-1.120
36.580
-0.301 0.010
-1.243
36.590
-0.298 0.012
-1.034
36.600
-0.301 0.011
-1.110
0.384 14.97 8.57

0.284 19.97 6.24
0.253 20.87 5.69
0.260 18.27 5.77
0.333 18.26 7.41
0.171 20.16 3.75
0.278 16.14 6.13
0.341 18.71 7.60
0.343 20.90 7.48
0.305 14.19 6.81
0.228 17.99 5.07
0.302 22.84 6.78
0.345 16.91 7.61
0.236 16.24 5.20
0.230 23.11 5.06
0.281 17.85 6.28
0.316 18.42 7.01
0.242 21.06 5.36
0.258 16.47 5.73
0.324 18.10 7.19
18305
18310
18315
18320
18325
18330
18335
18340
18345
18350
18355
18360
18365
18370
18375
18380
18385
18390
18395
18400
36.610
-0.299 0.010
-1.262
36.620
-0.301 0.011
-0.975
36.630
-0.301 0.010
-1.040
36.640
-0.301 0.010
-1.290
36.650
-0.299 0.009
-1.095
36.660
-0.301 0.012
-0.991
36.670
-0.300 0.010
-1.250
36.680
-0.300 0.012
-1.237
36.690
-0.301 0.012
-0.986
36.700
-0.297 0.011
-1.297
36.710
-0.302 0.010
-1.128
36.720
-0.297 0.012
-1.041
36.730
-0.302 0.011
-1.281
36.740
-0.298 0.009
-1.058
36.750
-0.300 0.012
-0.983
36.760
-0.298 0.008
-1.262
36.770
-0.298 0.011
-1.151
36.780
-0.299 0.009
-0.922
36.790
-0.300 0.012
-1.212
36.800
-0.299 0.012
-1.226
0.312 21.54 6.91

0.295 15.07 6.43
0.290 16.54 6.56
0.232 22.13 5.13
0.373 17.79 8.31
0.202 15.45 4.39
0.253 21.25 5.67
0.272 20.94 5.97
0.363 15.31 8.07
0.245 22.35 5.44
0.268 18.47 5.93
0.330 16.64 7.34
0.257 21.90 5.67
0.215 17.01 4.72
0.279 15.29 6.20
0.284 21.55 6.38
0.365 19.08 8.01
0.244 13.94 5.45
0.207 20.39 4.61
0.345 20.73 7.69
18405
18410
18415
18420
18425
18430
18435
18440
18445
18450
18455
18460
18465
18470
36.810
36.820
36.830
36.840
36.850
36.860
36.870
36.880
36.890
36.900
36.910
36.920
36.930
36.940
0
-0.299
-0.299
-0.298
-0.301
-0.297
-0.302
-0.296
-0.300
-0.298
-0.300
-0.300
-0.300
-0.300
-0.301
0.012
0.010
0.010
0.010
0.010
0.009
0.011
0.012
0.010
0.013
0.010
0.011
0.009
0.012
-1.059
-1.198
-1.205
-1.032
-1.252
-1.185
-0.939
-1.191
-1.257
-0.898
-1.134
-1.290
-0.987
-1.195
0.326
0.260
0.268
0.280
0.267
0.163
0.315
0.292
0.346
0.274
0.246
0.237
0.357
0.210
17.01
20.12
20.28
16.34
21.34
19.76
14.36
19.91
21.45
13.38
18.67
22.13
15.37
20.00
7.17
5.77
5.94
6.24
5.92
3.56
7.01
6.48
7.66
6.00
5.58
5.24
7.97
4.57
18475
18480
18485
18490
18495
18500
36.950
-0.302 0.010
-1.192
36.960
-0.299 0.010
-1.105
36.970
-0.302 0.010
-1.166
36.980
-0.297 0.010
-1.242
36.990
-0.301 0.010
-1.016
37.000
-0.297 0.012
-1.114
0.254 19.91 5.66

0.299 18.02 6.63
0.328 19.32 7.24
0.212 21.13 4.74
0.258 15.99 5.72
0.382 18.28 8.51
18505
18510
18515
18520
18525
18530
18535
18540
18545
18550
18555
18560
18565
18570
18575
18580
18585
18590
18595
18600
37.010
-0.299 0.010
-1.301
37.020
-0.299 0.009
-0.952
37.030
-0.300 0.010
-1.037
37.040
-0.300 0.009
-1.290
37.050
-0.300 0.011
-1.059
37.060
-0.300 0.009
-1.048
37.070
-0.301 0.012
-1.263
37.080
-0.301 0.011
-1.070
37.090
-0.300 0.012
-1.167
37.100
-0.302 0.011
-1.286
37.110
-0.297 0.011
-1.033
37.120
-0.302 0.009
-1.074
37.130
-0.296 0.011
-1.323
37.140
-0.300 0.010
-1.051
37.150
-0.299 0.008
-0.981
37.160
-0.299 0.011
-1.247
37.170
-0.299 0.009
-1.127
37.180
-0.301 0.012
-1.002
37.190
-0.300 0.011
-1.167
37.200
-0.301 0.012
-1.202
0.244 22.40 5.30

0.247 14.62 5.46
0.268 16.48 5.98
0.264 22.14 5.93
0.318 16.98 6.99
0.227 16.72 5.11
0.205 21.50 4.47
0.352 17.19 7.87
0.301 19.40 6.60
0.242 22.01 5.39
0.307 16.47 6.85
0.276 17.27 6.13
0.275 22.98 6.06
0.178 16.81 3.85
0.297 15.26 6.63
0.274 21.19 6.06
0.372 18.53 8.23
0.260 15.70 5.80
0.251 19.38 5.60
0.315 20.16 6.97
18605
18610
18615
18620
18625
18630
18635
18640
18645
18650
18655
18660
18665
18670
18675
18680
18685
18690
18695
18700
37.210
-0.301 0.011
-1.036
37.220
-0.300 0.010
-1.289
37.230
-0.300 0.009
-1.112
37.240
-0.297 0.010
-1.038
37.250
-0.301 0.008
-1.337
37.260
-0.296 0.011
-1.113
37.270
-0.301 0.012
-0.970
37.280
-0.297 0.011
-1.212
37.290
-0.300 0.012
-1.196
37.300
-0.299 0.009
-0.962
37.310
-0.301 0.012
-1.154
37.320
-0.301 0.009
-1.174
37.330
-0.302 0.012
-1.067
37.340
-0.301 0.009
-1.200
37.350
-0.299 0.011
-1.172
37.360
-0.300 0.009
-1.034
37.370
-0.298 0.011
-1.256
37.380
-0.301 0.010
-1.255
37.390
-0.298 0.011
-0.953
37.400
-0.301 0.010
-1.141
0.293 16.44 6.50

0.232 22.12 5.10
0.253 18.15 5.67
0.299 16.56 6.62
0.245 23.17 5.39
0.200 18.28 4.47
0.270 14.96 5.97
0.393 20.47 8.75
0.287 20.03 6.21
0.295 14.82 6.60
0.254 19.08 5.68
0.313 19.54 7.00
0.283 17.12 6.22
0.185 20.11 4.09
0.294 19.52 6.49
0.285 16.42 6.35
0.304 21.42 6.71
0.198 21.34 4.45
0.329 14.66 7.33
0.297 18.79 6.59
0
18705 37.410
-0.297 0.011
Job cancelled.
------------------------------------
-1.304 0.272
22.52 5.96
------------Calculate MMFF94 Energy and Gradient-----------The total energy for this frame: -69.416 kcal/mol
The RMS Gradient is: 16.148
------------------------------------

3 DMSG 2

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3 DMSG 2

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Translational Kinetic Energy: 0.0000 Rotational Kinetic Energy: 0.000

0.231 17.23 5.16

0.286 16.87 6.40

0.299 18.00 6.58

0.309 16.22 6.91

0.255 19.52 5.69

0.333 22.13 7.37

0.325 21.06 7.25

0.316 16.16 7.06

0.179 15.05 3.92

0.237 17.36 5.31

0.297 17.99 6.55

0.281 22.16 6.18

0.231 17.65 5.03

0.277 20.79 6.17

0.269 18.40 5.86

0.333 23.13 7.37

0.281 16.78 6.24

0.262 17.92 5.80

0.250 18.29 5.44

0.226 17.02 4.91

0.290 20.59 6.42

0.251 16.81 5.51

0.256 19.42 5.54

0.373 18.39 8.25

0.241 20.94 5.39

0.232 16.93 5.10

0.220 21.15 4.92

0.265 16.70 5.87

Translational Kinetic Energy: 0.0000 Rotational Kinetic Energy: 0.000

0.293 16.78 6.51

0.273 22.92 6.01

0.230 19.58 5.09

0.339 21.19 7.60

0.374 16.56 8.31

0.420 18.64 9.33

0.340 16.35 7.55

0.329 18.43 7.38

0.154 17.43 3.40

0.369 16.66 8.11

0.267 16.03 5.98

0.269 20.95 5.97

0.232 16.34 5.15

0.278 21.23 6.13

0.249 15.46 5.56

0.346 19.95 7.75

0.209 15.58 4.60

0.185 23.58 4.16

0.243 16.16 5.41

0.261 22.41 5.77

0.209 20.84 4.73

0.238 21.82 5.35

0.280 16.76 6.27

0.359 16.75 8.04

0.342 17.86 7.61

0.309 18.18 6.87

0.306 20.63 6.81

0.328 18.01 7.26

Translational Kinetic Energy: 0.0000 Rotational Kinetic Energy: 0.000

0.346 15.91 7.70

0.316 19.49 7.00

0.255 22.09 5.63